6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine

C158H183N23O4S3 — CID 158161486

IUPAC6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1c[nH]c2ncccc12.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1
InChIInChI=1S/2C12H13N.C11H12N2.C11H13N.3C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.C9H10N2O.C9H10N2S.C8H11N.C7H10O/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;3*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7/h2*3-9H,1-2H3;3-8H,1-2H3;3-8,12H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyFWIBBVWGPVFALE-UHFFFAOYSA-N
MW2564.56 g/mol
LogP45.41
Rot. Bonds16

About 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine

6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 158161486) has the molecular formula C158H183N23O4S3 and a molecular weight of 2564.56 g/mol. Its IUPAC name is 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
PubChem CID158161486
Molecular FormulaC158H183N23O4S3
Molecular Weight2564.56 g/mol
Exact Mass2562.40
IUPAC Name6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1c[nH]c2ncccc12.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1
InChIInChI=1S/2C12H13N.C11H12N2.C11H13N.3C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.C9H10N2O.C9H10N2S.C8H11N.C7H10O/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;3*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7/h2*3-9H,1-2H3;3-8H,1-2H3;3-8,12H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyFWIBBVWGPVFALE-UHFFFAOYSA-N
XLogP45.41
TPSA363.53 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002564.56
LogP ≤ 545.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-3-propan-2-ylbenzene;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-8-(trifluoromethyl)quinoline
CID 157276904
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
CID 158466648
CID 158466648
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
CID 158633368
CID 158633368
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158744610
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
CID 160156765
CID 160156765
3-(1,3-benzoxazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one;3-(5,6-difluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1-methylbenzimidazol-2-yl)propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1,3-thiazol-5-yl)propan-1-one;[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 160394205

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine (CID 158161486) is 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine is CC(C)c1c[nH]c2ncccc12.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1.
What is the InChIKey of 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is FWIBBVWGPVFALE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N.C11H12N2.C11H13N.3C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.C9H10N2O.C9H10N2S.C8H11N.C7H10O/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;3*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7/h2*3-9H,1-2H3;3-8H,1-2H3;3-8,12H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 2564.56 g/mol, XLogP of 45.41, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 158161486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).